8003-0197 Screening compound: 1-(4-benzylpiperazin-1-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one

8003-0197 Screening compound: 1-(4-benzylpiperazin-1-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one
8003-0197 Screening compound: 1-(4-benzylpiperazin-1-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0197
1-(4-benzylpiperazin-1-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8003-0197

Molecular Formula

C17H21N5O3 (C17 H21 N5 O3)

Compound Name

1-(4-benzylpiperazin-1-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one

IUPAC name

1-(4-benzylpiperazin-1-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one

SMILES

Cc1cc([N+]([O-])=O)nn1CC(N1CCN(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C17H21N5O3/c1-14-11-16(22(24)25)18-21(14)13-17(23)20-9-7-19(8-10-20)12-15-5-3-2-4-6-15/h2-6,11H,7-10,12-13H2,1H3

InChI Key

SDPVNINFODUSHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00293785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.707

Distribution Coefficient, logD

0.691

Water Solubility, LogSw

-1.71

Polar Surface Area

66.945

Acid Dissociation Constant (pKa)

25.22

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

8003-0197 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8003-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0197?
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What is the minimum amount of 8003-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0197
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8003-0197 available by request